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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H22FN3O4
Molecular Weight 495.5011
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CR-3465 FREE ACID

SMILES

OC(=O)[C@H](CC1=CC=C(OCC2=NC3=CC(F)=CC=C3C=C2)C=C1)NC(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChIKey=XBKBJNOSNDZQGN-MHZLTWQESA-N
InChI=1S/C29H22FN3O4/c30-21-10-7-20-8-11-22(31-26(20)16-21)17-37-23-12-5-18(6-13-23)15-27(29(35)36)33-28(34)25-14-9-19-3-1-2-4-24(19)32-25/h1-14,16,27H,15,17H2,(H,33,34)(H,35,36)/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H22FN3O4
Molecular Weight 495.5011
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:22:51 GMT 2023
Edited
by admin
on Sat Dec 16 18:22:51 GMT 2023
Record UNII
DP7U9CHX57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CR-3465 FREE ACID
Common Name English
L-TYROSINE, O-((7-FLUORO-2-QUINOLINYL)METHYL)-N-(2-QUINOLINYLCARBONYL)-
Systematic Name English
O-((7-FLUORO-2-QUINOLINYL)METHYL)-N-(2-QUINOLINYLCARBONYL)-L-TYROSINE
Systematic Name English
Code System Code Type Description
PUBCHEM
9935528
Created by admin on Sat Dec 16 18:22:51 GMT 2023 , Edited by admin on Sat Dec 16 18:22:51 GMT 2023
PRIMARY
CAS
353798-90-0
Created by admin on Sat Dec 16 18:22:51 GMT 2023 , Edited by admin on Sat Dec 16 18:22:51 GMT 2023
PRIMARY
FDA UNII
DP7U9CHX57
Created by admin on Sat Dec 16 18:22:51 GMT 2023 , Edited by admin on Sat Dec 16 18:22:51 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY